[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea

C17H18N4O5 — CID 110535239

IUPAC[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)cc([N+](=O)[O-])c1OCc1ccccc1C
InChIInChI=1S/C17H18N4O5/c1-11-5-3-4-6-13(11)10-26-16-14(21(23)24)7-12(8-15(16)25-2)9-19-20-17(18)22/h3-9H,10H2,1-2H3,(H3,18,20,22)/b19-9-
InChIKeyCGTJBQWPWNICJC-OCKHKDLRSA-N
MW358.35 g/mol
LogP2.49
Rot. Bonds7

About [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea

[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea (PubChem CID 110535239) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea
PubChem CID110535239
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)cc([N+](=O)[O-])c1OCc1ccccc1C
InChIInChI=1S/C17H18N4O5/c1-11-5-3-4-6-13(11)10-26-16-14(21(23)24)7-12(8-15(16)25-2)9-19-20-17(18)22/h3-9H,10H2,1-2H3,(H3,18,20,22)/b19-9-
InChIKeyCGTJBQWPWNICJC-OCKHKDLRSA-N
XLogP2.49
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]pentanamide
CID 110506854
2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine
CID 110535319
1-cyclohexyl-3-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]thiourea
CID 110529768
2-(4-aminophenyl)-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110515122
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylidene]thiophene-2-sulfonamide
CID 110518538
4-hydroxy-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110509401
[(E)-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6872608
2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide
CID 110515120
[[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]urea
CID 4669471
1-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 110508812
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 110515301

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea (CID 110535239) is [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea is COc1cc(/C=N\NC(N)=O)cc([N+](=O)[O-])c1OCc1ccccc1C.
What is the InChIKey of [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea?
The InChIKey is CGTJBQWPWNICJC-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11-5-3-4-6-13(11)10-26-16-14(21(23)24)7-12(8-15(16)25-2)9-19-20-17(18)22/h3-9H,10H2,1-2H3,(H3,18,20,22)/b19-9-.
What are the key properties of [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea?
[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea has a molecular weight of 358.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea is sourced from PubChem (CID 110535239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).